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Compound Report Overview

Compound Name: CAFFEINE

Compound Identifier: 707619

Mol Structure 2D: 707619

Molecular Weight: 194

Formula: C8 H10 N4 O2

Development Status: US FDA Approved

SMILES: Cn1cnc2n(C)c(=O)n(C)c(=O)c12

Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets

Compound Structures

>^ ISISHOST06100222052D 0 0.00000 0.00000 0^^ 14 15 0 0 0 999 V2000^ 5.5409 -3.3482 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.5251 -2.6427 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.9404 -3.7173 0.0000 N 0 0 3 0 0 0 0 0 0^ 4.3006 -2.6785 0.0000 N 0 0 3 0 0 0 0 0 0^ 4.3148 -3.3802 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.8941 -2.3033 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.2254 -3.5438 0.0000 N 0 0 0 0 0 0 0 0 0^ 6.1966 -2.4020 0.0000 N 0 0 3 0 0 0 0 0 0^ 6.6287 -2.9586 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.7082 -3.7563 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.8729 -1.5955 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.9687 -4.4312 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.6719 -2.3337 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.3977 -1.7198 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 1 2 0 0 0^ 3 1 1 0 0 0^ 4 5 1 0 0 0^ 5 3 1 0 0 0^ 6 2 1 0 0 0^ 7 1 1 0 0 0^ 8 2 1 0 0 0^ 9 7 2 0 0 0^ 10 5 2 0 0 0^ 11 6 2 0 0 0^ 12 3 1 0 0 0^ 13 4 1 0 0 0^ 14 8 1 0 0 0^ 8 9 1 0 0 0^ 6 4 1 0 0 0^M END^^

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